4,6-diamino-1-cyclopropylpyrimidine-2-thione

C7H10N4S — CID 19769212

IUPAC4,6-diamino-1-cyclopropylpyrimidine-2-thione
SMILESNc1cc(N)n(C2CC2)c(=S)n1
InChIInChI=1S/C7H10N4S/c8-5-3-6(9)11(4-1-2-4)7(12)10-5/h3-4H,1-2,9H2,(H2,8,10,12)
InChIKeyQYVCCQFAVCSQAO-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.11
Rot. Bonds1

About 4,6-diamino-1-cyclopropylpyrimidine-2-thione

4,6-diamino-1-cyclopropylpyrimidine-2-thione (PubChem CID 19769212) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 4,6-diamino-1-cyclopropylpyrimidine-2-thione.

Molecular Properties

Compound Name4,6-diamino-1-cyclopropylpyrimidine-2-thione
PubChem CID19769212
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name4,6-diamino-1-cyclopropylpyrimidine-2-thione
SMILESNc1cc(N)n(C2CC2)c(=S)n1
InChIInChI=1S/C7H10N4S/c8-5-3-6(9)11(4-1-2-4)7(12)10-5/h3-4H,1-2,9H2,(H2,8,10,12)
InChIKeyQYVCCQFAVCSQAO-UHFFFAOYSA-N
XLogP1.11
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-1-cyclopropylpyrimidine-2-thione?
The IUPAC name of 4,6-diamino-1-cyclopropylpyrimidine-2-thione (CID 19769212) is 4,6-diamino-1-cyclopropylpyrimidine-2-thione.
What is the SMILES notation for 4,6-diamino-1-cyclopropylpyrimidine-2-thione?
The canonical SMILES for 4,6-diamino-1-cyclopropylpyrimidine-2-thione is Nc1cc(N)n(C2CC2)c(=S)n1.
What is the InChIKey of 4,6-diamino-1-cyclopropylpyrimidine-2-thione?
The InChIKey is QYVCCQFAVCSQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c8-5-3-6(9)11(4-1-2-4)7(12)10-5/h3-4H,1-2,9H2,(H2,8,10,12).
What are the key properties of 4,6-diamino-1-cyclopropylpyrimidine-2-thione?
4,6-diamino-1-cyclopropylpyrimidine-2-thione has a molecular weight of 182.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-1-cyclopropylpyrimidine-2-thione is sourced from PubChem (CID 19769212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).